ethyl 4-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(3-pyridylmethyl)piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-pyridylmethyl)piperidin-1-ium-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H29N4O3+ MolecularWeight: 361.45856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CN=CC=C3

InChI

InChI=1S/C19H28N4O3/c1-2-26-19(25)23-12-10-22(11-13-23)18(24)17-5-8-21(9-6-17)15-16-4-3-7-20-14-16/h3-4,7,14,17H,2,5-6,8-13,15H2,1H3/p+1